1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one

C14H19NO3 — CID 171390685

IUPAC1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one
SMILESC=CCC(=O)CC(c1ccco1)N1CCOCC1
InChIInChI=1S/C14H19NO3/c1-2-4-12(16)11-13(14-5-3-8-18-14)15-6-9-17-10-7-15/h2-3,5,8,13H,1,4,6-7,9-11H2
InChIKeyCMQXLYATRLGRFJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds6

About 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one

1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one (PubChem CID 171390685) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one.

Molecular Properties

Compound Name1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one
PubChem CID171390685
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one
SMILESC=CCC(=O)CC(c1ccco1)N1CCOCC1
InChIInChI=1S/C14H19NO3/c1-2-4-12(16)11-13(14-5-3-8-18-14)15-6-9-17-10-7-15/h2-3,5,8,13H,1,4,6-7,9-11H2
InChIKeyCMQXLYATRLGRFJ-UHFFFAOYSA-N
XLogP2.19
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one?
The IUPAC name of 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one (CID 171390685) is 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one.
What is the SMILES notation for 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one?
The canonical SMILES for 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one is C=CCC(=O)CC(c1ccco1)N1CCOCC1.
What is the InChIKey of 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one?
The InChIKey is CMQXLYATRLGRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-4-12(16)11-13(14-5-3-8-18-14)15-6-9-17-10-7-15/h2-3,5,8,13H,1,4,6-7,9-11H2.
What are the key properties of 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one?
1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one has a molecular weight of 249.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-morpholin-4-ylhex-5-en-3-one is sourced from PubChem (CID 171390685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).